Catalog Number:
AG00BF5T
Chemical Name:
CiMiraceMoside D
CAS Number:
290821-39-5
Molecular Formula:
C37H58O11
Molecular Weight:
678.8498
MDL Number:
MFCD28411517
IUPAC Name:
[(1S,2R,3S,4R,7R,9S,12R,14R,16R,17R,18R,19R,21R,22S)-2-hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-9-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-16-yl] acetate
InChI:
InChI=1S/C37H58O11/c1-17-13-20-28(32(5,6)43)48-37(47-20)27(17)34(8)24(45-18(2)38)14-36-16-35(36)12-11-23(46-29-26(41)25(40)19(39)15-44-29)31(3,4)21(35)9-10-22(36)33(34,7)30(37)42/h17,19-30,39-43H,9-16H2,1-8H3/t17-,19+,20-,21+,22+,23+,24-,25+,26-,27-,28+,29+,30-,33-,34-,35-,36+,37+/m1/s1
InChI Key:
HZIBYJCDCHVSPK-RKUDFBBFSA-N
SMILES:
CC(=O)O[C@@H]1C[C@]23C[C@]43CC[C@@H](C([C@@H]4CC[C@H]2[C@]2([C@@]1(C)[C@H]1[C@H](C)C[C@H]3OC1([C@@H]2O)O[C@@H]3C(O)(C)C)C)(C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O
UNII:
38OGU4B6JD
